N-(4-cyanophenyl)-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide

C21H19N5O2 — CID 109359157

IUPACN-(4-cyanophenyl)-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
SMILESCC(C)Oc1ccccc1Nc1cc(C(=O)Nc2ccc(C#N)cc2)ncn1
InChIInChI=1S/C21H19N5O2/c1-14(2)28-19-6-4-3-5-17(19)26-20-11-18(23-13-24-20)21(27)25-16-9-7-15(12-22)8-10-16/h3-11,13-14H,1-2H3,(H,25,27)(H,23,24,26)
InChIKeyFFLDFBWXBJXGKA-UHFFFAOYSA-N
MW373.42 g/mol
LogP4.13
Rot. Bonds6

About N-(4-cyanophenyl)-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide

N-(4-cyanophenyl)-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide (PubChem CID 109359157) has the molecular formula C21H19N5O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is N-(4-cyanophenyl)-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
PubChem CID109359157
Molecular FormulaC21H19N5O2
Molecular Weight373.42 g/mol
Exact Mass373.15
IUPAC NameN-(4-cyanophenyl)-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
SMILESCC(C)Oc1ccccc1Nc1cc(C(=O)Nc2ccc(C#N)cc2)ncn1
InChIInChI=1S/C21H19N5O2/c1-14(2)28-19-6-4-3-5-17(19)26-20-11-18(23-13-24-20)21(27)25-16-9-7-15(12-22)8-10-16/h3-11,13-14H,1-2H3,(H,25,27)(H,23,24,26)
InChIKeyFFLDFBWXBJXGKA-UHFFFAOYSA-N
XLogP4.13
TPSA99.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-cyanophenyl)-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109359156
N-(4-chlorophenyl)-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109358274
N-(4-cyanophenyl)-2-methyl-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 112850706
methyl 2-[[6-[(4-cyanophenyl)carbamoyl]pyrimidin-4-yl]amino]benzoate
CID 109359485
6-(2-methoxyanilino)-N-(2-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109358697
N-(3-chlorophenyl)-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109358189
6-(4-cyanoanilino)-2-methyl-N-(2-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 112850714
N-(3-cyanophenyl)-6-(2-ethoxyanilino)pyrimidine-4-carboxamide
CID 109358999
N-(4-cyanophenyl)-6-(2,4-dimethylanilino)pyrimidine-4-carboxamide
CID 109356788
N-(4-cyanophenyl)-6-(4-fluoroanilino)pyrimidine-4-carboxamide
CID 109357985
N-(4-chlorophenyl)-6-(2-methoxyanilino)pyrimidine-4-carboxamide
CID 109358268
6-(2-methoxyanilino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109358693

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-(4-cyanophenyl)-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide (CID 109359157) is N-(4-cyanophenyl)-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide is CC(C)Oc1ccccc1Nc1cc(C(=O)Nc2ccc(C#N)cc2)ncn1.
What is the InChIKey of N-(4-cyanophenyl)-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide?
The InChIKey is FFLDFBWXBJXGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2/c1-14(2)28-19-6-4-3-5-17(19)26-20-11-18(23-13-24-20)21(27)25-16-9-7-15(12-22)8-10-16/h3-11,13-14H,1-2H3,(H,25,27)(H,23,24,26).
What are the key properties of N-(4-cyanophenyl)-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide?
N-(4-cyanophenyl)-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide has a molecular weight of 373.42 g/mol, XLogP of 4.13, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109359157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).